All-electron scalar relativistic calculation of water molecule adsorption onto small gold clusters

2010 ◽  
Vol 17 (8) ◽  
pp. 2005-2016 ◽  
Author(s):  
Xiang-jun Kuang ◽  
Xin-qiang Wang ◽  
Gao-bin Liu
Keyword(s):  
Water Molecule ◽  
Gold Clusters ◽  
Molecule Adsorption ◽  
Relativistic Calculation

Water Molecule Adsorption on Protonated Dipeptides

2004 ◽  
Vol 126 (4) ◽  
pp. 1206-1213 ◽  
Author(s):  
Motoya Kohtani ◽  
Gary A. Breaux ◽  
Martin F. Jarrold
Keyword(s):  
Water Molecule ◽  
Molecule Adsorption

Kinetics of water molecule adsorption on the porous silicon surface

2014 ◽  
Vol 41 (3) ◽  
pp. 63-67 ◽  
Author(s):  
D. M. Kurmasheva ◽  
V. D. Travkin ◽  
P. O. Kapralov ◽  
V. G. Artemova ◽  
V. I. Tikhonov ◽  
...  
Keyword(s):  
Porous Silicon ◽  
Water Molecule ◽  
Silicon Surface ◽  
Porous Silicon Surface ◽  
Molecule Adsorption ◽  
Kinetics Of

scholarly journals DFT study of single water molecule adsorption on the (100) and (101) surfaces of KH2PO4

RSC Advances ◽  
2017 ◽  
Vol 7 (42) ◽  
pp. 26170-26178 ◽  
Author(s):  
Lei Zhang ◽  
Yulin Wu ◽  
Yao Liu ◽  
Hui Li
Keyword(s):  
Water Molecule ◽  
Dft Method ◽  
Dft Study ◽  
Kdp Crystal ◽  
Molecule Adsorption ◽  
Single Water Molecule

The adsorption of single water molecule on external surfaces of KDP crystal was theoretically investigated based on DFT method. We would also be grateful if you could change the image to the attached one.

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